Difference between revisions of "Compatible software"
From NMReDATA
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|'''Developer''' | |'''Developer''' | ||
|'''Language/Operating system''' | |'''Language/Operating system''' | ||
| − | | | + | |<abbr title="Version of the .sdf format">'''Version'''</abbr> |
|'''NMReDATA''' | |'''NMReDATA''' | ||
|'''Supported NMReDATA versions''' | |'''Supported NMReDATA versions''' | ||
| Line 14: | Line 14: | ||
|'''Examples of output''' | |'''Examples of output''' | ||
|'''Documentation''' | |'''Documentation''' | ||
| + | |'''License/availability''' | ||
|- | |- | ||
|[https://sourceforge.net/projects/jmol/files/ JSmol] | |[https://sourceforge.net/projects/jmol/files/ JSmol] | ||
| − | |[ | + | |[https://NMReDATA.web.uah.es/reader/reader.htm J_reader] |
| − | |Angel | + | |Angel Herráez |
|JavaScript | |JavaScript | ||
| − | |V | + | |V 1.0 |
|Visualize/edit tags, generate/edit 3D structures | |Visualize/edit tags, generate/edit 3D structures | ||
|2.0 | |2.0 | ||
|Read/Add Files/Write | |Read/Add Files/Write | ||
|pending... | |pending... | ||
| − | |[[ | + | |[[Jreader | main features ]] |
| + | |[http://creativecommons.org/licenses/by-sa/4.0/ CC BY-SA 4.0] | ||
| + | |- | ||
| + | |Tospin | ||
| + | |CMC-se Included in the freee Topspin licence for academia | ||
| + | |Bruker Biospin | ||
| + | |Any system running Topspin | ||
| + | |V 4.0.8 | ||
| + | |read/write | ||
| + | |1.1 | ||
| + | |Write | ||
| + | |pending | ||
| + | |CMC-se manual | ||
| + | |[https://www.bruker.com/service/support-upgrades/software-downloads/nmr/free-topspin-processing/nmr-topspin-license-for-academia.html] | ||
|- | |- | ||
|[http://nmrshiftdb.nmr.uni-koeln.de/ nmrshiftdb2] | |[http://nmrshiftdb.nmr.uni-koeln.de/ nmrshiftdb2] | ||
| Line 35: | Line 49: | ||
|generate | |generate | ||
|[https://nmrshiftdb2.sourceforge.io/quickcheck4.1.12.nmredata.sd link] | |[https://nmrshiftdb2.sourceforge.io/quickcheck4.1.12.nmredata.sd link] | ||
| + | | | ||
| + | | | ||
|- | |- | ||
|Javatools | |Javatools | ||
| Line 45: | Line 61: | ||
|generate | |generate | ||
| | | | ||
| + | |[https://github.com/NMReDATAInitiative/javatools/wiki] | ||
| + | |LGPL v3.0 | ||
|- | |- | ||
|Spectrus | |Spectrus | ||
| Line 54: | Line 72: | ||
|1.0 | |1.0 | ||
|generate/write | |generate/write | ||
| + | | | ||
| + | | | ||
| | | | ||
|- | |- | ||
|Mnova | |Mnova | ||
| − | | | + | |Integrated |
| − | | | + | |Mestrelab |
|Any system running Mnova | |Any system running Mnova | ||
| − | | | + | |14.1.1 |
| − | | | + | |read/write |
| + | |1.1 | ||
| + | |read/write | ||
| + | |[https://dx.doi.org/10.22000/451 example] | ||
| + | |Commercial, campus licence | ||
| + | |- | ||
| + | |[https://github.com/cheminfo cheminfo] | ||
| + | |[https://github.com/cheminfo/nmredata nmredata] | ||
| + | |Alejandro Bolaños Julien Wist | ||
| + | |Javascript node module | ||
| + | |V? | ||
| + | |read/write? | ||
|1.1 | |1.1 | ||
|generate (When spectra are available) | |generate (When spectra are available) | ||
| − | |[https:// | + | |pending request |
| + | |https://github.com/cheminfo/nmredata | ||
| + | | | ||
| + | |- | ||
| + | |[https://cocon-nmr.de/ WebCocon] | ||
| + | |Export option | ||
| + | |Jochen Junker | ||
| + | |Web browser | ||
| + | |V? | ||
| + | |write | ||
| + | |1.1 | ||
| + | |n/a | ||
| + | |pending request | ||
| + | |https://cocon-nmr.de/media/files/Manual.pdf | ||
| + | | | ||
|- | |- | ||
|} | |} | ||
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| + | |||
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|'''NMR Record''' | |'''NMR Record''' | ||
|'''Examples of output''' | |'''Examples of output''' | ||
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|Matlab/Octave | |Matlab/Octave | ||
Latest revision as of 20:34, 17 February 2024
This list is tentative - It has not been validated by (all) the authors.
| Software Platform | Product/tool | Developer | Language/Operating system | Version | NMReDATA | Supported NMReDATA versions | NMR Record | Examples of output | Documentation | License/availability |
| JSmol | J_reader | Angel Herráez | JavaScript | V 1.0 | Visualize/edit tags, generate/edit 3D structures | 2.0 | Read/Add Files/Write | pending... | main features | CC BY-SA 4.0 |
| Tospin | CMC-se Included in the freee Topspin licence for academia | Bruker Biospin | Any system running Topspin | V 4.0.8 | read/write | 1.1 | Write | pending | CMC-se manual | [1] |
| nmrshiftdb2 | QuickCheck | Stefan Kuhn | Web browser | 4.1.12 | generate/write | 1.0 & 1.1 | generate | link | ||
| Javatools | see github | Stefan Kuhn | Any Java-enabled | Pre-alpha | generate/write/validate | 1.0 & 1.1 | generate | [2] | LGPL v3.0 | |
| Spectrus | Spectrus using a script | ACD/Labs | Windows | v. 2017.2 and above | generate/write | 1.0 | generate/write | |||
| Mnova | Integrated | Mestrelab | Any system running Mnova | 14.1.1 | read/write | 1.1 | read/write | example | Commercial, campus licence | |
| cheminfo | nmredata | Alejandro Bolaños Julien Wist | Javascript node module | V? | read/write? | 1.1 | generate (When spectra are available) | pending request | https://github.com/cheminfo/nmredata | |
| WebCocon | Export option | Jochen Junker | Web browser | V? | write | 1.1 | n/a | pending request | https://cocon-nmr.de/media/files/Manual.pdf |
| Software Platform | Product/tool | Developer | Language/Operating system | Version | NMReDATA | NMR Record | Examples of output |
| Matlab/Octave | NMReDATA_View | Damien Jeannerat | Any system running matalab/octave | V0 (will be on GitHub) when ready for test | read | read | |
| NOMAD | Tomas Lebl | ||||||
| Firefox/Google Chrome | Julien Wist | Any running Firefox/Google Chrome | generate | generate |
